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CRC Press eBooks

The Schrödinger Equation

Steven M. Pascal

Published Jul 12, 2023• 0 citations
Publisher

Abstract

The time-dependent Schrödinger equation (TDSE) is a wave equation that is used to understand the behavior of small particles such as electrons or nuclei. The equation must be "solved" in the sense that a function must be found that can be plugged into the equation and that leaves the left-hand side equal to the right-hand side. The TDSE can be understood by first studying the classical wave equation that is used to "solve" the behavior of a guitar string or a water wave. The TDSE is a bit different in that it equates a double space derivative with a single time derivative (the classical equation equates two double derivatives); it also implicitly includes the symbol i , which stands for the square root of -1. These differences give rise to different sorts of solutions, including complex solutions with real and imaginary parts. In the case of the TDSE, the solution or "wave" does not directly show the motion of the particle. Instead, it shows where the particle is likely to be found. More specifically, it is a probability wave for particle location. To obtain the precise probability for the particle to be found at a specific position x at a specific time t , the wave function Ψ ( x , t ) must be squared via a special procedure called taking the square modulus. The wave contains information about the frequency, wavelength, position, and momentum of the particle. In the following chapters, we will be showing how to find the wave solution in different circumstances (different potentials), and how to extract the information about momentum, etc., once the wave function is known.

DOI
10.1201/9781003356172-3

Related papers

Deriving the Schrödinger Equation

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The Schrödinger equation was really postulated rather than derived. But we can see why it was postulated. It has been proven to be valid, in that it provides information about small, slow moving particles subject to a wide variety of potentials. The derivation of the time-dependent Schrödinger equation (TDSE) follows rather directly from assuming a free particle wave: Ψ = e i(kx-ωt) . If this wave function is plugged into the classical wave equation, and quantum principles are used, the two sides of the equation are not equal (this means this function does not "solve" the equation). The quantum principles required are an understanding of the photoelectric effect (by which E = ħω) and the de Broglie hypothesis (λ = h/p). Using these relationships, we show that one derivative of time is equal to a double derivative with respect to position, with a few proportionality factors mixed in. Thus, the TDSE for a free particle is just a statement that kinetic energy equals total energy . For a non-free particle (subject to a potential), potential must merely be added to the left-hand side of the equation, to yield kinetic energy plus potential energy equals total energy .

CRC Press eBooks•Jul 12, 2023•0 citations

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The time-independent Schrödinger equation (TISE) is a mathematical equation, and therefore it has mathematical solutions. But not all solutions that make mathematical sense also make physical sense. For instance, a possible solution might solve the TISE but go to infinity at a certain position. That cannot be: the particle cannot have infinite probability to be found somewhere. Likewise, the particle can't have more than one probability to be found somewhere. Hence, we can exclude mathematical solutions that are not finite, are double-valued, are discontinuous, or have a discontinuous derivative, since these characteristics are unrealistic for a physical particle. However, the last rule can be ignored if the potential function trapping the particle is itself infinitely discontinuous. Also, the total probability to find the particle somewhere should equal one. The process of making the wave function the right size so that the total probability equals one is called " normalization ". Calculations such as the normalization process are made much simpler by using the Dirac bra-ket notation, which is simply a shorthand notation that eliminates the need to write integral signs, dx, *, and limits.

CRC Press eBooks•Jul 12, 2023•0 citations
The time-dependent Schrödinger equation (TDSE) is a wave equation that is used to understand the behavior of small particles such as electrons or nuclei. The equation must be "solved" in the sense that a function must be found that can be plugged into the equation and that leaves the left-hand side equal to the right-hand side. The TDSE can be understood by first studying the classical wave equation that is used to "solve" the behavior of a guitar string or a water wave. The TDSE is a bit different in that it equates a double space derivative with a single time derivative (the classical equation equates two double derivatives); it also implicitly includes the symbol i , which stands for the square root of -1. These differences give rise to different sorts of solutions, including complex solutions with real and imaginary parts. In the case of the TDSE, the solution or "wave" does not directly show the motion of the particle. Instead, it shows where the particle is likely to be found. More specifically, it is a probability wave for particle location. To obtain the precise probability for the particle to be found at a specific position x at a specific time t , the wave function Ψ ( x , t ) must be squared via a special procedure called taking the square modulus. The wave contains information about the frequency, wavelength, position, and momentum of the particle. In the following chapters, we will be showing how to find the wave solution in different circumstances (different potentials), and how to extract the information about momentum, etc., once the wave function is known.
The Schrödinger equation was really postulated rather than derived. But we can see why it was postulated. It has been proven to be valid, in that it provides information about small, slow moving particles subject to a wide variety of potentials. The derivation of the time-dependent Schrödinger equation (TDSE) follows rather directly from assuming a free particle wave: Ψ = e i(kx-ωt) . If this wave function is plugged into the classical wave equation, and quantum principles are used, the two sides of the equation are not equal (this means this function does not "solve" the equation). The quantum principles required are an understanding of the photoelectric effect (by which E = ħω) and the de Broglie hypothesis (λ = h/p). Using these relationships, we show that one derivative of time is equal to a double derivative with respect to position, with a few proportionality factors mixed in. Thus, the TDSE for a free particle is just a statement that kinetic energy equals total energy . For a non-free particle (subject to a potential), potential must merely be added to the left-hand side of the equation, to yield kinetic energy plus potential energy equals total energy .
The time-dependent Schrödinger equation (TDSE) contains two variables: position and time. Therefore, the solutions are functions of both space and time (x and t, if we limit ourselves to particles moving in one dimension). It turns out that the easiest way to "solve" such an equation of two variables is to perform a separation of variables. We show that if the potential does not change with time, then certain special solutions (eigenfunctions) can be written as a product of a space function and a time function: Ψ(x,t) = ψ(x) f(t). By assuming a "separable" solution of this form, and plugging into the TDSE, the TDSE itself can be separated into two equations: the time-independent Schrödinger equation (TISE) with solution ψ(x), and the space-independent Schrödinger equation (SISE) with solution f(t). Furthermore, f(t) always equals e -iωt , while ψ(x) depends on the potential. So, for potentials that do not vary with time, we need only solve the much simpler TISE in order to investigate the energy, momentum, and so on of the particle. This is why, for the remainder of this book, we only use the TISE.
This article describes the concept of the time-dependent Schrödinger equation (TDSE) as a review to add a detailed understanding of the steps to formulate TDSE which can be seen from the classical mechanic's concept as a mechanical wave function. In this article, a comprehensive approach to the concepts of momentum and energy in particles will be described using operators working on wave functions. The results show that the use of momentum and energy operators can show that TDSE is a Hamiltonian system.
This paper focuses on the principle of time dependent Schrodinger equation (TDSE) which simplified so many reviewed ideas, class room teaching, research ideologies and personal study meant for advanced knowledge. In this research work,  the enlightenment of the basic concept of Schrodinger wave equation to improve knowledge about simple ways for mathematical understanding in deriving TDSE using different technique in more comprehensive approach. The research shows clearly that TDSE can be derived using time independent equation, wave mechanics, classical & Hamilton-Jacobi’s equations. Different methods and ways by different researchers/scholars have been used in the past. In this paper, we review the quantum field theoretic route to the Schrodinger wave equation which treats time and space as parameters, not operators. Furthermore, we recall that a classical (nonlinear) wave equation can be derived from the classical action via Hamiltonian-Jacobi theory. By requiring the wave equation to be linear we again arrive at the Schrodinger equation, without postulating operator relations. The underlying philosophy is operational. Surely, a particle is what a particle detector detects. This leads us to a useful physical picture combining the wave (field) and particle paradigms which points the way to the time-dependent Schrodinger equation. However, the result provides a comprehensive well derived derivation, derived using various approaches, which would make this research a unique one from different areas of specializations.
Till 1925 the idea of what the quantum theory would be was unknown. During 1925 three different but equivalent versions of quantum theory were proposed – Schrödinger-proposed wave mechanics; Heisenberg-developed matrix mechanics and Dirac-introduced operator theory. Considering the de Broglie’s matter waves Erwin Schrödinger, an Austrian physicist, argued that if a particle like an electron behaves as a wave then the equation of wave motion could be successfully applied to it. He postulated a function varying in both space and time in a wave-like manner (hence called wave function and denoted it as ψ). This function is generally complex and assumed to contain information about a system. Schrödinger set up a linear and time-dependent wave-like equation, called Schrödinger wave equation, to describe the wave aspect of a particle taking account of de Broglie’s relation for wavelength. Physically, |ψ(X, t)|2, where ψ(X, t) is the solution of the Schrödinger equation, is interpreted as position probability density. That is, |ψ(X, t)|2 is the probability density of observing a particle at position X at time t. ψ does not give exact outcomes of observations but helps us to know all possible events and their probabilities . Further, the probability interpretation allows us to find the average or expected result of a set of measurements on a quantum system.
The time-independent Schrödinger equation (TISE) is a mathematical equation, and therefore it has mathematical solutions. But not all solutions that make mathematical sense also make physical sense. For instance, a possible solution might solve the TISE but go to infinity at a certain position. That cannot be: the particle cannot have infinite probability to be found somewhere. Likewise, the particle can't have more than one probability to be found somewhere. Hence, we can exclude mathematical solutions that are not finite, are double-valued, are discontinuous, or have a discontinuous derivative, since these characteristics are unrealistic for a physical particle. However, the last rule can be ignored if the potential function trapping the particle is itself infinitely discontinuous. Also, the total probability to find the particle somewhere should equal one. The process of making the wave function the right size so that the total probability equals one is called " normalization ". Calculations such as the normalization process are made much simpler by using the Dirac bra-ket notation, which is simply a shorthand notation that eliminates the need to write integral signs, dx, *, and limits.